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Kutzneride 2

AlkaPlorer ID: AK058628

Synonym: None

IUPAC Name: (3S)-3-[(1S,4R,7S,12R,14S,17S,20R,23S,31R)-7-tert-butyl-12,26,27-trichloro-31-hydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-2,5,8,15,18,21-hexaoxo-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-trien-20-yl]-3-hydroxypropanoic acid

Structure

SMILES: COC[C@@H]1N=C(O)[C@@H]2C[C@@H](Cl)CNN2C(=O)[C@H](C(C)(C)C)OC(=O)[C@@H](C2(C)CC2)N=C(O)[C@@H]2C[C@@]3(O)C4=C(N[C@H]3N2C(=O)[C@@H]([C@@H](O)CC(=O)O)N=C1O)C(Cl)=C(Cl)C=C4

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InChI: InChI=1S/C37H48Cl3N7O12/c1-35(2,3)27-32(55)47-19(10-15(38)13-41-47)29(52)42-18(14-58-5)28(51)43-25(21(48)11-22(49)50)31(54)46-20(30(53)45-26(33(56)59-27)36(4)8-9-36)12-37(57)16-6-7-17(39)23(40)24(16)44-34(37)46/h6-7,15,18-21,25-27,34,41,44,48,57H,8-14H2,1-5H3,(H,42,52)(H,43,51)(H,45,53)(H,49,50)/t15-,18+,19+,20+,21+,25-,26+,27-,34+,37-/m1/s1

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InChIKey: GOUIVYIRLLTNCF-JJMZTBTASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Kutzneria sp. 744 Kutzneria Pseudonocardiaceae Pseudonocardiales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 889.1870000000002

TPSA？: 275.74

MolLogP？: 2.475300000000005

Number of H-Donors: 8

Number of H-Acceptors: 13

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus fumigatus Aspergillus fumigatus Activity nan None 10.1021/np0604331
Calonectria canadiana Calonectria canadiana Inhibition 60.0 % 10.1021/np050378g
Candida albicans Candida albicans Activity nan None 10.1021/np0604331
Drechslera Drechslera MIC 110000.0 nM 10.1021/np0604331
Fusarium avenaceum Fusarium avenaceum Inhibition 60.0 % 10.1021/np050378g
Fusarium culmorum Fusarium culmorum MIC 70000.0 nM 10.1021/np0604331
Fusarium oxysporum Fusarium oxysporum Inhibition 30.0 % 10.1021/np050378g
Ilyonectria destructans Ilyonectria destructans Inhibition 60.0 % 10.1021/np050378g
Pectobacterium carotovorum Pectobacterium carotovorum MIC 6000.0 nM 10.1021/np0604331
Pseudomonas savastanoi pv. savastanoi Pseudomonas savastanoi pv. savastanoi Activity nan None 10.1021/np0604331
Staphylococcus aureus Staphylococcus aureus MIC 6000.0 nM 10.1021/np0604331

Metabolism Information